N#CCOCC#CCN1C(=O)CCCC1C=O
SMILES: N#CCOCC#CCN1C(=O)CCCC1C=O

Molecular Processing

Molecular formula
C12H14N2O3
Molecular weight
234.25
Exact mass
234.1004
XLogP
0.11
TPSA
70.4
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
59.62

Supplementary Information

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